Diazoacetylphenylalanine methyl ester
TL;DR: Diazoacetylphenylalanine methyl ester (CAS 29261-16-3) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(2-diazoacetyl)amino]-3-phenylpropanoate
Also Known As: Dap-ME, Diazoacetylphenylalanine methyl ester, Diazoacetyl-L-phenylalanine methyl ester, L-Phenylalanine,N-(diazoacetyl)-, methyl ester (9CI), (Z)-2-diazonio-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]ethenolate
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 29261-16-3 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C=[N+]=[N-] |
| InChIKey | NRMULSJMFPZIST-JTQLQIEISA-N |
Product Overview
Diazoacetylphenylalanine methyl ester (CAS 29261-16-3), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: methyl (2S)-2-[(2-diazoacetyl)amino]-3-phenylpropanoate.
Chemical Property Profile of Diazoacetylphenylalanine methyl ester
Property Insights of Diazoacetylphenylalanine methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diazoacetylphenylalanine methyl ester. With a topological polar surface area (TPSA) of 57.4 Ų, Diazoacetylphenylalanine methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diazoacetylphenylalanine methyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diazoacetylphenylalanine methyl ester?
The CAS number of Diazoacetylphenylalanine methyl ester is 29261-16-3.
What is the molecular formula of Diazoacetylphenylalanine methyl ester?
The molecular formula of Diazoacetylphenylalanine methyl ester is C12H13N3O3.
What is the molecular weight of Diazoacetylphenylalanine methyl ester?
The molecular weight of Diazoacetylphenylalanine methyl ester is 247.10 g/mol.
Where can I buy Diazoacetylphenylalanine methyl ester?
You can request a quote for Diazoacetylphenylalanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diazoacetylphenylalanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Diazoacetylphenylalanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.